methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate

C11H16N2O4 — CID 43407679

IUPACmethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C11H16N2O4/c1-7-9(8(2)17-12-7)5-10(14)13(3)6-11(15)16-4/h5-6H2,1-4H3
InChIKeyVIZJEQBHVSAHRG-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.47
Rot. Bonds4

About methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate

methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate (PubChem CID 43407679) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
PubChem CID43407679
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C11H16N2O4/c1-7-9(8(2)17-12-7)5-10(14)13(3)6-11(15)16-4/h5-6H2,1-4H3
InChIKeyVIZJEQBHVSAHRG-UHFFFAOYSA-N
XLogP0.47
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]acetate
CID 43422778
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243431
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 32761183
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
CID 61008485
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 134028802
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 97313614
N-[(4-bromo-1-methylpyrrol-2-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 154739082
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[2-(dimethylamino)-2-oxoethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropanamide
CID 86908122
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl-methylamino]acetic acid
CID 43239752

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate (CID 43407679) is methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cc1c(C)noc1C.
What is the InChIKey of methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate?
The InChIKey is VIZJEQBHVSAHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-9(8(2)17-12-7)5-10(14)13(3)6-11(15)16-4/h5-6H2,1-4H3.
What are the key properties of methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate?
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate has a molecular weight of 240.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate is sourced from PubChem (CID 43407679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).